6BG3

Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Endolysin, DCN1-like protein 1 chimera	polymer	384	44307.4	1	UniProt (P00720) UniProt (Q96GG9) Pfam (PF00959) Pfam (PF03556)	Enterobacteria phage T4	DCUN1 domain-containing protein 1,Defective in cullin neddylation protein 1-like protein 1,Squamous cell carcinoma-related oncogene,Lysis protein,Lysozyme,Muramidase
2	B (A)	N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea	non-polymer		437.5	1	Chemie (DOJ)
3	C (A)	water	water		18.0	678	Chemie (HOH)

Sequence modifications

A: 1 - 164 (UniProt: P00720)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Gln -10	-	expression tag
Asp -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gly 12	Arg 12	conflict
Thr 54	Cys 54	conflict
Ala 97	Cys 97	conflict
Arg 137	Ile 137	conflict
Thr 146	Ala 146	conflict

A: 1062 - 1259 (UniProt: Q96GG9)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44307.4
Non-Polymers*	Number of molecules	1
	Total formula weight	437.5
All*	Total formula weight	44744.8

*Water molecules are not included.